1-thiomorpholin-4-ylheptan-4-ol

C11H23NOS — CID 144711894

IUPAC1-thiomorpholin-4-ylheptan-4-ol
SMILESCCCC(O)CCCN1CCSCC1
InChIInChI=1S/C11H23NOS/c1-2-4-11(13)5-3-6-12-7-9-14-10-8-12/h11,13H,2-10H2,1H3
InChIKeyZPAYUYZXKHRLMW-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.98
Rot. Bonds6

About 1-thiomorpholin-4-ylheptan-4-ol

1-thiomorpholin-4-ylheptan-4-ol (PubChem CID 144711894) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylheptan-4-ol.

Molecular Properties

Compound Name1-thiomorpholin-4-ylheptan-4-ol
PubChem CID144711894
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-thiomorpholin-4-ylheptan-4-ol
SMILESCCCC(O)CCCN1CCSCC1
InChIInChI=1S/C11H23NOS/c1-2-4-11(13)5-3-6-12-7-9-14-10-8-12/h11,13H,2-10H2,1H3
InChIKeyZPAYUYZXKHRLMW-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-ylheptan-4-ol?
The IUPAC name of 1-thiomorpholin-4-ylheptan-4-ol (CID 144711894) is 1-thiomorpholin-4-ylheptan-4-ol.
What is the SMILES notation for 1-thiomorpholin-4-ylheptan-4-ol?
The canonical SMILES for 1-thiomorpholin-4-ylheptan-4-ol is CCCC(O)CCCN1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylheptan-4-ol?
The InChIKey is ZPAYUYZXKHRLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-4-11(13)5-3-6-12-7-9-14-10-8-12/h11,13H,2-10H2,1H3.
What are the key properties of 1-thiomorpholin-4-ylheptan-4-ol?
1-thiomorpholin-4-ylheptan-4-ol has a molecular weight of 217.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylheptan-4-ol is sourced from PubChem (CID 144711894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).